1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

C43H27NO — CID 88857589

IUPAC1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H27NO/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)40-34-13-4-6-15-36(34)41(37-16-7-5-14-35(37)40)31-22-24-32(25-23-31)42-43-38(26-27-44-42)33-12-8-9-17-39(33)45-43/h1-27H
InChIKeyJHHWFYJZFKQKOO-UHFFFAOYSA-N
MW573.70 g/mol
LogP11.96
Rot. Bonds4

About 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine

1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (PubChem CID 88857589) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
PubChem CID88857589
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C43H27NO/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)40-34-13-4-6-15-36(34)41(37-16-7-5-14-35(37)40)31-22-24-32(25-23-31)42-43-38(26-27-44-42)33-12-8-9-17-39(33)45-43/h1-27H
InChIKeyJHHWFYJZFKQKOO-UHFFFAOYSA-N
XLogP11.96
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 511.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-[1]benzofuro[2,3-c]pyridine
CID 118245530
1-naphthalen-2-yl-[1]benzofuro[2,3-c]pyridine
CID 176724013
7-[4-(10-phenylanthracen-9-yl)phenyl]-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16,18,20,23-undecaene
CID 130212470
12-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 88568798
1-(9,10-dinaphthalen-1-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-2-ylanthracen-9-yl)-[1]benzofuro[2,3-c]pyridine;1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-[1]benzofuro[2,3-c]pyridine;1-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)-[1]benzofuro[2,3-c]pyridine
CID 158275009
bis[6-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811588
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
1-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)-[1]benzofuro[2,3-c]pyridine
CID 122471130
6-[10-(4-phenylphenyl)anthracen-9-yl]-9,18-dioxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11,13,15,19,21,23-undecaene
CID 163460893
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803

Frequently Asked Questions

What is the IUPAC name of 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine (CID 88857589) is 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5nccc6c5oc5ccccc56)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
The InChIKey is JHHWFYJZFKQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO/c1-2-10-28(11-3-1)29-18-20-30(21-19-29)40-34-13-4-6-15-36(34)41(37-16-7-5-14-35(37)40)31-22-24-32(25-23-31)42-43-38(26-27-44-42)33-12-8-9-17-39(33)45-43/h1-27H.
What are the key properties of 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine?
1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine has a molecular weight of 573.70 g/mol, XLogP of 11.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 88857589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).